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Glucosamine
CAS: 3416-24-8 | C6H13NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3416-24-8
Molecular Formula:
C6H13NO5
Molecular Mass:
179.17 g/mol
Names and Synonyms:
Glucosamine
D-Glucose, 2-amino-2-deoxy-
2-Amino-2-deoxy-D-glucose
Chitosamine
Glucosamine
D-Glucosamine
2-Amino-2-deoxyglucose
2-Amino-2-deoxy-D-glucopyranose
2-Deoxy-2-aminoglucose
2-Deoxy-2-amino-D-glucose
2-Aminoglucose
Glucosamine, D-
Mediflex
Identifiers:
SMILES:
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI:
InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1
Key Properties
Melting Point
88 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.17 g/mol | CAS Common Chemistry |
| 179.17199999999997 g/mol | RDKit | |
| 179.079372516 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glucosamine | CAS Common Chemistry |
| Canonical SMILES | O=CC(N)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2/t3-,4+,5+,6+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FZHXIRIBWMQPQF-SLPGGIOYSA-N | CAS Common Chemistry |
| Melting Point | 88 °C | CAS Common Chemistry |
| Name | Glucosamine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.01000000000002 Ų | RDKit |
| LogP | -3.4123999999999994 | RDKit |
| Molar Refractivity | 39.14560000000001 | RDKit |
